Geometry & MOs

Info

ID:

431830

PubChem CID:

135171944

Reduced:

ClN6O6C44H63 (1)

Stoich.:

AB6C6D44E63 (1)

Weight, g/mol:

459.230411

ΔHf, kcal/mol:

-241.94

Dipole, Da:

7.85

IP(EA), eV:

 -8.62(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[(5-carbamoyl-1,3,4-thiadiazol-2-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OCCC(C)CN(C3CCOCC3)C4=C(C=C(C=C4)C(C)CC(=O)OC)N)NC5=CN=C(C=N5)Cl

DOS

IR

Vibrations